Home Boronic Acids 960388-56-1
960388-56-1,MFCD12546581
Catalog No.:AA006SOL
960388-56-1 | 3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
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250mg
98%
in stock  
$120.00
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1g
98%
in stock  
$312.00
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5g
98%
in stock  
$1,056.00
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10g
98%
in stock  
$1,667.00
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  • Technical Information
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Technical Information
Catalog Number:
AA006SOL
Chemical Name:
3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS Number:
960388-56-1
Molecular Formula:
C12H16BClO3
Molecular Weight:
254.5176
MDL Number:
MFCD12546581
IUPAC Name:
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7,15H,1-4H3
InChI Key:
MJTRKHGZBSKPKX-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.088g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.517g/mol
Monoisotopic Mass:
254.088g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
960388-56-1 
3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol 
ZINC169746607 
FCH2799529 
OR360939 
AX8231347 
TR-038600 
ST24022844 
B-1251 
3-Chloro-5-hydroxyphenylboronic acid,pinacol ester 
3-Chloro-5-hydroxyphenylboronic acid pinacol ester 
3-Chloro-5-hydroxyphenylboronic acid, pinacol ester 
SCHEMBL4244671 
CTK8B6294 
DTXSID30675265 
MJTRKHGZBSKPKX-UHFFFAOYSA-N 
ANW-53236 
MFCD12546581 
AKOS015999648 
Literature
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